Geometry & MOs

Info

ID:	130450
PubChem CID:	51090881
Reduced:	O3N4H16C18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	336.12224
ΔH_f, kcal/mol:	46.83
Dipole, Da:	4.62
IP(EA), eV:	-9.65(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-7-nitro-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1N(CC2=CC=NC=C2)C(=O)C3=CC4=C(N3)C=CC(=C4)[N+](=O)[O-]

DOS

IR

Vibrations